Information card for entry 4306989

Structure parameters

• Common name: eisaa01
• Formula: C46 H32 F6 Ir O2 P2 Sb
• Calculated formula: C46 H32 F6 Ir O2 P2 Sb
• Title of publication: Diastereoselective Oxidative Addition of Dihydrogen to IrI(CO)((R)-BINAP) and [Ir(CO)2((R)-BINAP)][SbF6]
• Authors of publication: Abdurrahman Ç. Atesin; Simon B. Duckett; Christine Flaschenriem; William W. Brennessel; Richard Eisenberg
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 1196 - 1204
• a: 11.4905 ± 0.0015 Å
• b: 11.7732 ± 0.0015 Å
• c: 17.234 ± 0.002 Å
• α: 90°
• β: 102.564 ± 0.002°
• γ: 90°
• Cell volume: 2275.6 ± 0.5 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No